2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride

C11H16BrCl2FN2O2S — CID 120664453

IUPAC2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(Cl)cc(F)cc1Br.Cl
InChIInChI=1S/C11H15BrClFN2O2S.ClH/c1-3-15-7(2)6-16-19(17,18)11-9(12)4-8(14)5-10(11)13;/h4-5,7,15-16H,3,6H2,1-2H3;1H/t7-;/m1./s1
InChIKeyUGLHSHPDEMLGJU-OGFXRTJISA-N
MW410.14 g/mol
LogP2.94
Rot. Bonds6

About 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride

2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120664453) has the molecular formula C11H16BrCl2FN2O2S and a molecular weight of 410.14 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
PubChem CID120664453
Molecular FormulaC11H16BrCl2FN2O2S
Molecular Weight410.14 g/mol
Exact Mass407.95
IUPAC Name2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(Cl)cc(F)cc1Br.Cl
InChIInChI=1S/C11H15BrClFN2O2S.ClH/c1-3-15-7(2)6-16-19(17,18)11-9(12)4-8(14)5-10(11)13;/h4-5,7,15-16H,3,6H2,1-2H3;1H/t7-;/m1./s1
InChIKeyUGLHSHPDEMLGJU-OGFXRTJISA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.14
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
CID 120713919
3-bromo-4-ethoxy-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664517
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
2-bromo-6-chloro-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721700
2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466867
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
3-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 120664929

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride (CID 120664453) is 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1c(Cl)cc(F)cc1Br.Cl.
What is the InChIKey of 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is UGLHSHPDEMLGJU-OGFXRTJISA-N. The full InChI is InChI=1S/C11H15BrClFN2O2S.ClH/c1-3-15-7(2)6-16-19(17,18)11-9(12)4-8(14)5-10(11)13;/h4-5,7,15-16H,3,6H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride?
2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 410.14 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).